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	hartrees
Energy at 0K	-476.034343
Energy at 298.15K	-476.038156
HF Energy	-475.576104
Nuclear repulsion energy	92.159236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3187	8.39
2	A'	3122	3122	22.51
3	A'	3058	3058	9.83
4	A'	1485	1485	4.67
5	A'	1412	1412	39.04
6	A'	1389	1389	19.36
7	A'	1189	1189	17.87
8	A'	1088	1088	2.64
9	A'	846	846	1.07
10	A'	396	396	1.69
11	A"	3129	3129	10.59
12	A"	1478	1478	7.87
13	A"	1049	1049	3.66
14	A"	768	768	12.10
15	A"	170	170	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.628	0.000
C2	-1.504	0.708	0.000
S3	0.885	-0.742	0.000
H4	0.514	1.605	0.000
H5	-1.958	-0.295	0.000
H6	-1.848	1.270	0.888
H7	-1.848	1.270	-0.888

	C1	C2	S3	H4	H5	H6	H7
C1		1.5057	1.6306	1.1041	2.1643	2.1482	2.1482
C2	1.5057		2.7939	2.2080	1.1004	1.1060	1.1060
S3	1.6306	2.7939		2.3759	2.8778	3.5074	3.5074
H4	1.1041	2.2080	2.3759		3.1174	2.5451	2.5451
H5	2.1643	1.1004	2.8778	3.1174		1.8024	1.8024
H6	2.1482	1.1060	3.5074	2.5451	1.8024		1.7761
H7	2.1482	1.1060	3.5074	2.5451	1.8024	1.7761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.345	C1	C2	H6	109.729
C1	C2	H7	109.729	C2	C1	S3	125.908
C2	C1	H4	114.697	S3	C1	H4	119.395
H5	C2	H6	109.551	H5	C2	H7	109.551
H6	C2	H7	106.827

All results from a given calculation for CH₃CHS (Thioacetaldehyde)

using model chemistry: CCSD=FULL/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3CHS (Thioacetaldehyde)

using model chemistry: CCSD=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHS (Thioacetaldehyde)